2-(bromomethyl)-4-(4-methylpentyl)morpholine

C11H22BrNO — CID 83168587

IUPAC2-(bromomethyl)-4-(4-methylpentyl)morpholine
SMILESCC(C)CCCN1CCOC(CBr)C1
InChIInChI=1S/C11H22BrNO/c1-10(2)4-3-5-13-6-7-14-11(8-12)9-13/h10-11H,3-9H2,1-2H3
InChIKeyYBROPAIIJNBWFW-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.52
Rot. Bonds5

About 2-(bromomethyl)-4-(4-methylpentyl)morpholine

2-(bromomethyl)-4-(4-methylpentyl)morpholine (PubChem CID 83168587) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(4-methylpentyl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(4-methylpentyl)morpholine
PubChem CID83168587
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name2-(bromomethyl)-4-(4-methylpentyl)morpholine
SMILESCC(C)CCCN1CCOC(CBr)C1
InChIInChI=1S/C11H22BrNO/c1-10(2)4-3-5-13-6-7-14-11(8-12)9-13/h10-11H,3-9H2,1-2H3
InChIKeyYBROPAIIJNBWFW-UHFFFAOYSA-N
XLogP2.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
[4-(4-methylpentyl)morpholin-2-yl]methanamine
CID 83157184
2-[4-(4-methylpentyl)morpholin-2-yl]acetic acid
CID 83158040
N-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]ethanamine
CID 138727106
2-(bromomethyl)-4-[3-(2-methoxyethoxy)propyl]morpholine
CID 103413126
2-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 166016856
N,2-dimethyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 138727851
1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol
CID 170115847
(5R)-5-methyl-6-[4-(5-methylhexyl)morpholin-2-yl]hexan-1-ol
CID 129015462
ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 176933389
4-(4-methylpentyl)morpholine-2-carbothioamide
CID 83156168
5-(2-ethylmorpholin-4-yl)-2-methylpentan-1-amine
CID 82017099

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(4-methylpentyl)morpholine?
The IUPAC name of 2-(bromomethyl)-4-(4-methylpentyl)morpholine (CID 83168587) is 2-(bromomethyl)-4-(4-methylpentyl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(4-methylpentyl)morpholine?
The canonical SMILES for 2-(bromomethyl)-4-(4-methylpentyl)morpholine is CC(C)CCCN1CCOC(CBr)C1.
What is the InChIKey of 2-(bromomethyl)-4-(4-methylpentyl)morpholine?
The InChIKey is YBROPAIIJNBWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-10(2)4-3-5-13-6-7-14-11(8-12)9-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(bromomethyl)-4-(4-methylpentyl)morpholine?
2-(bromomethyl)-4-(4-methylpentyl)morpholine has a molecular weight of 264.21 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(4-methylpentyl)morpholine is sourced from PubChem (CID 83168587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).